N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide

C20H17ClN4O2 — CID 109282153

IUPACN-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(NCc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)15-3-2-4-17(9-15)25-20(27)18-11-24-19(12-22-18)23-10-14-5-7-16(21)8-6-14/h2-9,11-12H,10H2,1H3,(H,23,24)(H,25,27)
InChIKeyXYDZWVANAPVBRJ-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.20
Rot. Bonds6

About N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide

N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109282153) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109282153
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC NameN-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cnc(NCc3ccc(Cl)cc3)cn2)c1
InChIInChI=1S/C20H17ClN4O2/c1-13(26)15-3-2-4-17(9-15)25-20(27)18-11-24-19(12-22-18)23-10-14-5-7-16(21)8-6-14/h2-9,11-12H,10H2,1H3,(H,23,24)(H,25,27)
InChIKeyXYDZWVANAPVBRJ-UHFFFAOYSA-N
XLogP4.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-5-[2-(4-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109285861
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109190131
5-(3-acetylanilino)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109292842
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170977
N-(3-acetylphenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211919
N-(3-acetylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283988
N-(4-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280431
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
N-(4-acetylphenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282562

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide (CID 109282153) is N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cnc(NCc3ccc(Cl)cc3)cn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is XYDZWVANAPVBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-13(26)15-3-2-4-17(9-15)25-20(27)18-11-24-19(12-22-18)23-10-14-5-7-16(21)8-6-14/h2-9,11-12H,10H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide?
N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109282153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).